(2-morpholin-4-yl-2-oxoethyl) 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate

C13H17ClN2O6S2 — CID 7804748

IUPAC(2-morpholin-4-yl-2-oxoethyl) 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate
SMILESCN(CC(=O)OCC(=O)N1CCOCC1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H17ClN2O6S2/c1-15(24(19,20)13-3-2-10(14)23-13)8-12(18)22-9-11(17)16-4-6-21-7-5-16/h2-3H,4-9H2,1H3
InChIKeyCLJULZNGNYTCSW-UHFFFAOYSA-N
MW396.87 g/mol
LogP0.42
Rot. Bonds6

About (2-morpholin-4-yl-2-oxoethyl) 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate

(2-morpholin-4-yl-2-oxoethyl) 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate (PubChem CID 7804748) has the molecular formula C13H17ClN2O6S2 and a molecular weight of 396.87 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate
PubChem CID7804748
Molecular FormulaC13H17ClN2O6S2
Molecular Weight396.87 g/mol
Exact Mass396.02
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate
SMILESCN(CC(=O)OCC(=O)N1CCOCC1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H17ClN2O6S2/c1-15(24(19,20)13-3-2-10(14)23-13)8-12(18)22-9-11(17)16-4-6-21-7-5-16/h2-3H,4-9H2,1H3
InChIKeyCLJULZNGNYTCSW-UHFFFAOYSA-N
XLogP0.42
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.87
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate (CID 7804748) is (2-morpholin-4-yl-2-oxoethyl) 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate is CN(CC(=O)OCC(=O)N1CCOCC1)S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate?
The InChIKey is CLJULZNGNYTCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O6S2/c1-15(24(19,20)13-3-2-10(14)23-13)8-12(18)22-9-11(17)16-4-6-21-7-5-16/h2-3H,4-9H2,1H3.
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate?
(2-morpholin-4-yl-2-oxoethyl) 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate has a molecular weight of 396.87 g/mol, XLogP of 0.42, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxoethyl) 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate is sourced from PubChem (CID 7804748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).